4,4-diethyl-5-methyl-2,3-dihydropyrrole

C9H17N — CID 134923804

IUPAC4,4-diethyl-5-methyl-2,3-dihydropyrrole
SMILESCCC1(CC)CCN=C1C
InChIInChI=1S/C9H17N/c1-4-9(5-2)6-7-10-8(9)3/h4-7H2,1-3H3
InChIKeyNTZBOIFAOABXEX-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.66
Rot. Bonds2

About 4,4-diethyl-5-methyl-2,3-dihydropyrrole

4,4-diethyl-5-methyl-2,3-dihydropyrrole (PubChem CID 134923804) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4,4-diethyl-5-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,4-diethyl-5-methyl-2,3-dihydropyrrole
PubChem CID134923804
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4,4-diethyl-5-methyl-2,3-dihydropyrrole
SMILESCCC1(CC)CCN=C1C
InChIInChI=1S/C9H17N/c1-4-9(5-2)6-7-10-8(9)3/h4-7H2,1-3H3
InChIKeyNTZBOIFAOABXEX-UHFFFAOYSA-N
XLogP2.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
2H-Pyrrole, 3,4-dihydro-3,3,5-trimethyl-
CID 12141939
Dimethyl-1-pyrroline
CID 12706237
3,4,5,6-Tetrahydro-2,3,3-trimethylpyridine
CID 13157776
Trimethyl-1-pyrroline
CID 59294321
4-Methyl-5-azaspiro[2.4]hept-4-ene
CID 123612752
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690
5-tert-butyl-4-methyl-3,4-dihydro-2H-pyrrole
CID 55264230
3,3-Dimethyl-5-propyl-2,4-dihydropyrrole
CID 86038826
3-ethyl-3,6-dimethyl-4,5-dihydro-2H-pyridine
CID 134923809
6,6,7-Trimethyl-2,3,4,5-tetrahydroazepine
CID 134923946

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-5-methyl-2,3-dihydropyrrole?
The IUPAC name of 4,4-diethyl-5-methyl-2,3-dihydropyrrole (CID 134923804) is 4,4-diethyl-5-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 4,4-diethyl-5-methyl-2,3-dihydropyrrole?
The canonical SMILES for 4,4-diethyl-5-methyl-2,3-dihydropyrrole is CCC1(CC)CCN=C1C.
What is the InChIKey of 4,4-diethyl-5-methyl-2,3-dihydropyrrole?
The InChIKey is NTZBOIFAOABXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-9(5-2)6-7-10-8(9)3/h4-7H2,1-3H3.
What are the key properties of 4,4-diethyl-5-methyl-2,3-dihydropyrrole?
4,4-diethyl-5-methyl-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-5-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 134923804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).